ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine

C7H15NS — CID 144657524

IUPACethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
SMILESC=C(C)/C(C)=N\S.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4(2)5(3)6-7;1-2/h7H,1H2,2-3H3;1-2H3/b6-5-;
InChIKeyVZWFMBXQPYWLIF-YSMBQZINSA-N
MW145.27 g/mol
LogP2.89
Rot. Bonds1

About ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine

ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine (PubChem CID 144657524) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound Nameethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
PubChem CID144657524
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
SMILESC=C(C)/C(C)=N\S.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4(2)5(3)6-7;1-2/h7H,1H2,2-3H3;1-2H3/b6-5-;
InChIKeyVZWFMBXQPYWLIF-YSMBQZINSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Methylbut-3-en-2-imine
CID 20732293
Carbanide;3-methylbut-3-en-2-ylideneazanide;platinum(4+)
CID 58939480
CID 91242215
CID 91242215
3-Methylbut-3-en-2-imine
CID 91430163
(NZ)-N-[(Z)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 117768341
(Z)-3-methyl-N-methylsulfanylbut-3-en-2-imine
CID 141867220
(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 142052098
ethane;(Z)-3-methyl-N-methylsulfanylbut-3-en-2-imine
CID 144564368
N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
CID 152891830
S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine
CID 153065209
N-[(Z)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 173562170
N-[(Z)-4-iodo-3-methylbut-3-en-2-ylidene]thiohydroxylamine
CID 173589378

Frequently Asked Questions

What is the IUPAC name of ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The IUPAC name of ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine (CID 144657524) is ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine.
What is the SMILES notation for ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The canonical SMILES for ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine is C=C(C)/C(C)=N\S.CC.
What is the InChIKey of ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The InChIKey is VZWFMBXQPYWLIF-YSMBQZINSA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-4(2)5(3)6-7;1-2/h7H,1H2,2-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine has a molecular weight of 145.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 144657524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).